2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide

C15H22FN3O2 — CID 79517334

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1N(CCO)C1CCCCC1
InChIInChI=1S/C15H22FN3O2/c16-12-7-4-8-13(14(12)15(17)18-21)19(9-10-20)11-5-2-1-3-6-11/h4,7-8,11,20-21H,1-3,5-6,9-10H2,(H2,17,18)
InChIKeyZJOYLZGZJYABBF-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.05
Rot. Bonds5

About 2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide

2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 79517334) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID79517334
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1N(CCO)C1CCCCC1
InChIInChI=1S/C15H22FN3O2/c16-12-7-4-8-13(14(12)15(17)18-21)19(9-10-20)11-5-2-1-3-6-11/h4,7-8,11,20-21H,1-3,5-6,9-10H2,(H2,17,18)
InChIKeyZJOYLZGZJYABBF-UHFFFAOYSA-N
XLogP2.05
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54994907
2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929848
3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
CID 102859346
2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55079645
2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
CID 54994680
3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid
CID 79513281
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide
CID 115545500
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol
CID 107932834
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
2-[cyclohexyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 53408930
2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide
CID 102868412

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 79517334) is 2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1c(F)cccc1N(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZJOYLZGZJYABBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c16-12-7-4-8-13(14(12)15(17)18-21)19(9-10-20)11-5-2-1-3-6-11/h4,7-8,11,20-21H,1-3,5-6,9-10H2,(H2,17,18).
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide?
2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 295.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 79517334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).